CID 75355393

4-cyclopropyloxane-4-carboxylic acid

Structural Information

Molecular Formula
C9H14O3
SMILES
C1CC1C2(CCOCC2)C(=O)O
InChI
InChI=1S/C9H14O3/c10-8(11)9(7-1-2-7)3-5-12-6-4-9/h7H,1-6H2,(H,10,11)
InChIKey
UXBGITNBLFSMPT-UHFFFAOYSA-N
Compound name
4-cyclopropyloxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0943 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10158 136.3
[M+Na]+ 193.08352 143.0
[M-H]- 169.08702 142.7
[M+NH4]+ 188.12812 151.3
[M+K]+ 209.05746 143.4
[M+H-H2O]+ 153.09156 131.0
[M+HCOO]- 215.09250 154.0
[M+CH3COO]- 229.10815 177.6
[M+Na-2H]- 191.06897 142.5
[M]+ 170.09375 135.6
[M]- 170.09485 135.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.